SCHEMBL16124597

SCHEMBL16124597

CCCCc1cccc(OC(=O)C(N)CCCCN)c1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 3/20 0.48
▸ PPARA Q07869 6/20 0.46
▸ PPARG P37231 4/20 0.46
▸ EPOR P19235 1/20 0.43
▸ PTGIR P43119 1/20 0.43
▸ MAPK1 P28482 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ ERAP2 Q6P179 2/20 0.40
▸ LNPEP Q9UIQ6 1/20 0.40
▸ LTA4H P09960 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ ERAP1 Q9NZ08 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16124584 0.94 ACHE (0.49) ACHEPPARAPPARGEPORMAPK1
SCHEMBL16124583 0.85 THRB (0.47) ERAP2LNPEPLTA4HERAP1
SCHEMBL16124582 0.85 PPARA (0.49) ACHEPPARAPPARGCYP2D6
SCHEMBL14135115 0.84 ACHE (0.44) ACHEEPORMAPK1L3MBTL1LNPEP
SCHEMBL13416281 0.83 ACHE (0.44) ACHEEPORMAPK1L3MBTL1ERAP2
SCHEMBL13396512 0.82 ACHE (0.40) ACHEEPORMAPK1L3MBTL1LTA4H
SCHEMBL13396417 0.81 ACHE (0.40) ACHEEPORMAPK1L3MBTL1ERAP2
Hydrochloric Acid SCHEMBL5064601 0.80 LMNA (0.48) EPORMAPK1LTA4H
SCHEMBL16124599 0.79 PPARA (0.48) ACHEPPARAPPARGPTGIRCYP2D6
SCHEMBL16124585 0.79 THRB (0.48) PPARAPPARGEPORERAP2LNPEP

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140288142-A1 NITRIC OXIDE DONOR COMPOUNDS NICOX SA (FR) 2014-09-25 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140288142-A1 NITRIC OXIDE DONOR COMPOUNDS NOS3, NOS2, NOS1 ACHE 394/4885PPARA 2870/4885PPARG 3056/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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